2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonylbenzonitrile Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C19H17N3O2S2/c20-13-15-5-1-4-8-18(15)26(23,24)22-11-9-14(10-12-22)19-21-16-6-2-3-7-17(16)25-19/h1-8,14H,9-12H2